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7-(3-CHLOROPROPOXY)-4-(4-FLUORO-3-TRIFLUOROMETHYLANILINO)-6-METHOXY-1,2,3-BENZOTRIAZINE
SpectraBase Compound ID KNuY0hBgCU6
InChI InChI=1S/2C18H15ClF4N4O2/c2*1-28-15-8-11-14(9-16(15)29-6-2-5-19)25-27-26-17(11)24-10-3-4-13(20)12(7-10)18(21,22)23/h2*3-4,7-9H,2,5-6H2,1H3,(H,24,25,26)
InChIKey AVLGPCQWDUSXSH-UHFFFAOYSA-N
Mol Weight 861.58 g/mol
Molecular Formula C36H30Cl2F8N8O4
Exact Mass 860.163932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36CchO6Ujlj
Name 7-(3-CHLOROPROPOXY)-4-(4-FLUORO-3-TRIFLUOROMETHYLANILINO)-6-METHOXY-1,2,3-BENZOTRIAZINE
Compound Number 8P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H30Cl2F8N8O4
InChI InChI=1S/2C18H15ClF4N4O2/c2*1-28-15-8-11-14(9-16(15)29-6-2-5-19)25-27-26-17(11)24-10-3-4-13(20)12(7-10)18(21,22)23/h2*3-4,7-9H,2,5-6H2,1H3,(H,24,25,26)
InChIKey AVLGPCQWDUSXSH-UHFFFAOYSA-N
Literature Reference Author J.L.LV,R.WANG,D.LIU,G.GUO,Y.K.JING,L.X.ZHAO
Literature Reference Citation MOLECULES,13,1427(2008)
Literature Reference DOI 10.3390/molecules13061427
Molecular Weight 861.579 g/mol
Sample ID 56746
Solvent DMSO-D6